Products for Research Use Only
RegisterLogin

NucPE1

CAT: 0127-OR1103163-02Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0127-OR1103163-02Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1404091-23-1
Purity
98%
Smiles
O=C1OC2 (C3=C (OC4=C2C=CC (B5OC (C) (C) C (C) (C) O5) =C4) C=C (NCC) C (C) =C3) C6=C1C=CC=C6

Chemical Information

NucPE1
CAS Number1404091-23-1
PubChem CID129626434
IUPAC Name3'-(ethylamino)-2'-methyl-6'-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one
Molecular FormulaC29H30BNO5
Molecular Weight483.4
Topological Polar Surface Area66
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count36
Formal Charge0
Complexity849
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C4(C5=CC=CC=C5C(=O)O4)C6=C(O3)C=C(C(=C6)C)NCC
InChI
InChI=1S/C29H30BNO5/c1-7-31-23-16-25-22(14-17(23)2)29(20-11-9-8-10-19(20)26(32)34-29)21-13-12-18(15-24(21)33-25)30-35-27(3,4)28(5,6)36-30/h8-16,31H,7H2,1-6H3
InChIKey
GHPDUBPWQBBRPG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of NucPE1
CAS: 1404091-23-1
CID: 129626434
Formula: C29H30BNO5
MW: 483.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight483.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass483.2217032
Monoisotopic Mass483.2217032
Topological Polar Surface Area66 Ų
Heavy Atom Count36
Formal Charge0
Complexity849
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA6204-10NucPE1
A19964-1NucPE1 1mg
A19964-100NucPE1 100mg
A19964-10NucPE1 10mg
A19964-50NucPE1 50mg
A19964-5NucPE1 5mg

Popular Products